SCHEMBL6598995

SCHEMBL6598995

CCC1CC(OS(C)(=O)=O)CN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
SIRT6 Q8N6T7 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6075627 0.78 SIRT6 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2391755 0.78 ACHE (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27845137 0.75 CYP2D6 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6161538 0.73 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2126451 0.73 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6133189 0.73 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15514037 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7805407 0.71 ALDH1A1 (0.41) ALDH1A1MAPTHTT
SCHEMBL13292851 0.70 KMT2A (0.50) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6714741 0.69 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462453-A1 Paraphenylenediamin derivatives comprising a substituted pyrrolidinyl group and bearing a cationic radical as well as their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-29 EP disclosed